SpectraBase Spectrum ID |
DJ7ZVrhM0ji |
Name |
5-(2-Chloroethyl)bicyclo[2.2.1]hept-2-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
156.070578119 u |
Formula |
C9H13Cl |
InChI |
InChI=1S/C9H13Cl/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7-,8+,9-/m0/s1 |
InChIKey |
JCHDZHTVBMCNRM-YIZRAAEISA-N |
Molecular Weight |
156.656 g/mol |
SMILES |
C=1[C@]2([C@@](CCCl)(C[C@@](C1)(C2)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935074 |